2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole

C14H18ClFN2O3 — CID 63598961

IUPAC2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
SMILESCOCCOCCn1c(CCl)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H18ClFN2O3/c1-19-5-6-21-4-3-18-12-8-13(20-2)10(16)7-11(12)17-14(18)9-15/h7-8H,3-6,9H2,1-2H3
InChIKeyDPQZKEQIBVENLU-UHFFFAOYSA-N
MW316.76 g/mol
LogP2.59
Rot. Bonds8

About 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole

2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole (PubChem CID 63598961) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
PubChem CID63598961
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Name2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
SMILESCOCCOCCn1c(CCl)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H18ClFN2O3/c1-19-5-6-21-4-3-18-12-8-13(20-2)10(16)7-11(12)17-14(18)9-15/h7-8H,3-6,9H2,1-2H3
InChIKeyDPQZKEQIBVENLU-UHFFFAOYSA-N
XLogP2.59
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-fluoro-6-methoxy-1-pentylbenzimidazole
CID 63598932
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863
2-(chloromethyl)-1-(2-ethoxyethyl)-5,6-dimethoxybenzimidazole
CID 83008681
2-(chloromethyl)-5-fluoro-6-methoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959546
1-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 63598965
ethyl 2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63599125
4-[2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63825170
2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
CID 63598420
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 63599148
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
1-butan-2-yl-2-(chloromethyl)-5-fluoro-6-methoxybenzimidazole
CID 63598249

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole (CID 63598961) is 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole is COCCOCCn1c(CCl)nc2cc(F)c(OC)cc21.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole?
The InChIKey is DPQZKEQIBVENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-19-5-6-21-4-3-18-12-8-13(20-2)10(16)7-11(12)17-14(18)9-15/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole?
2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole has a molecular weight of 316.76 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole is sourced from PubChem (CID 63598961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).